#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdt n HIS 2 N 0.00 1.59 -4.04 1.61 -0.00 -1.25 -3.80 115.22 109.33 2gdt n HIS 2 Ca 0.00 0.41 -0.36 0.00 -0.00 0.00 0.00 57.72 57.78 2gdt n HIS 2 Cb 0.00 -2.20 -0.07 0.00 -0.00 0.00 0.00 29.99 27.72 2gdt n HIS 2 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2gdt s VAL 3 N -1.65 5.10 -0.00 1.59 1.01 -0.25 -4.84 120.40 121.35 2gdt s VAL 3 Ca 0.79 -0.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.51 2gdt s VAL 3 Cb -0.35 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2gdt s VAL 3 CO 0.44 0.57 0.81 -1.10 0.00 0.00 0.00 175.10 175.83 2gdt s GLN 4 N -1.13 4.51 -0.28 2.72 -0.21 -1.26 -0.05 119.66 123.96 2gdt s GLN 4 Ca 0.16 1.12 0.01 0.00 0.02 0.00 0.00 55.36 56.67 2gdt s GLN 4 Cb -0.12 -3.42 0.08 0.00 1.00 0.00 0.00 33.01 30.55 2gdt s GLN 4 CO 0.06 0.11 0.02 -0.51 -2.12 0.00 0.00 175.29 172.85 2gdt s LEU 5 N 0.55 2.91 0.27 2.90 1.43 0.11 -4.97 118.68 121.88 2gdt s LEU 5 Ca 0.42 -1.53 -0.19 0.00 -1.03 0.00 0.00 54.13 51.80 2gdt s LEU 5 Cb -0.20 -1.16 -0.09 0.00 0.03 0.00 0.00 46.19 44.78 2gdt s LEU 5 CO 0.23 -0.33 0.76 -0.44 0.23 0.00 0.00 176.35 176.80 2gdt s SER 6 N 1.37 7.00 0.01 2.29 0.01 -1.26 -0.57 113.70 122.54 2gdt s SER 6 Ca 0.03 1.43 0.01 0.00 1.31 0.00 0.00 55.95 58.73 2gdt s SER 6 Cb -0.18 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 2gdt s SER 6 CO -0.13 -0.06 -0.02 -0.76 0.41 0.00 0.00 173.24 172.68 2gdt s LEU 7 N -2.31 2.07 0.06 2.44 1.43 -0.61 -4.96 118.68 116.80 2gdt s LEU 7 Ca 0.47 -0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 53.11 2gdt s LEU 7 Cb -0.15 -0.06 -0.06 0.00 0.03 0.00 0.00 46.19 45.95 2gdt s LEU 7 CO 0.20 -0.06 1.26 -2.16 0.23 0.00 0.00 176.35 175.82 2gdt s PRO 8 N -0.44 4.39 -0.19 1.29 0.04 -1.26 -0.96 135.00 137.86 2gdt s PRO 8 Ca -0.03 1.85 -0.28 0.00 0.04 0.00 0.00 61.00 62.58 2gdt s PRO 8 Cb -0.03 -3.36 -0.00 0.00 0.04 0.00 0.00 34.50 31.14 2gdt s PRO 8 CO -0.00 -0.34 0.97 0.08 0.04 0.00 0.00 177.00 177.75 2gdt s VAL 9 N 1.30 4.76 0.01 -0.36 1.01 0.29 -1.03 120.40 126.38 2gdt s VAL 9 Ca 0.60 1.91 0.06 0.00 0.00 0.00 0.00 61.98 64.55 2gdt s VAL 9 Cb -0.31 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 2gdt s VAL 9 CO 0.29 -0.09 -0.17 -0.76 0.00 0.00 0.00 175.10 174.37 2gdt s LEU 10 N 2.69 2.08 0.04 3.92 1.43 -1.19 -1.54 118.68 126.10 2gdt s LEU 10 Ca 0.43 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 2gdt s LEU 10 Cb -0.16 -0.85 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 2gdt s LEU 10 CO 0.10 0.17 1.18 -1.10 0.23 0.00 0.00 176.35 176.94 2gdt s GLN 11 N -0.65 4.43 0.66 1.70 -0.21 -1.26 -4.41 119.66 119.92 2gdt s GLN 11 Ca 0.06 1.72 0.41 0.00 0.02 0.00 0.00 55.36 57.57 2gdt s GLN 11 Cb -0.07 -3.40 2.25 0.00 1.00 0.00 0.00 33.01 32.79 2gdt s GLN 11 CO 0.00 -0.27 2.29 -0.24 -2.12 0.00 0.00 175.29 174.94 2gdt h VAL 12 N 4.63 0.04 -0.21 1.09 3.04 -1.95 0.03 116.25 122.92 2gdt h VAL 12 Ca -0.40 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.24 2gdt h VAL 12 Cb 1.21 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 2gdt h VAL 12 CO 0.82 0.00 -0.05 0.08 -1.01 0.00 0.00 177.57 177.41 2gdt h ARG 13 N 0.00 0.40 -0.01 4.17 0.11 -2.02 -3.20 114.38 113.83 2gdt h ARG 13 Ca 0.00 -0.15 -0.15 0.00 0.10 0.00 0.00 59.98 59.78 2gdt h ARG 13 Cb 0.13 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.17 2gdt h ARG 13 CO -0.00 0.65 -0.68 -0.44 0.10 0.00 0.00 179.97 179.60 2gdt h ASP 14 N 0.13 0.06 0.00 0.08 3.32 -1.40 -3.36 116.42 115.25 2gdt h ASP 14 Ca 0.05 -0.04 -0.33 0.00 0.02 0.00 0.00 57.03 56.73 2gdt h ASP 14 Cb 0.50 -0.02 0.05 0.00 0.22 0.00 0.00 39.33 40.08 2gdt h ASP 14 CO 0.02 0.72 1.68 0.52 -1.72 0.00 0.00 179.24 180.46 2gdt n VAL 15 N -3.76 0.88 0.16 -1.35 0.31 -0.88 -4.74 118.33 108.95 2gdt n VAL 15 Ca -0.01 -0.61 0.04 0.00 -0.01 0.00 0.00 64.34 63.75 2gdt n VAL 15 Cb 0.66 -1.90 0.24 0.00 -0.91 0.00 0.00 33.84 31.93 2gdt n VAL 15 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2gdt n LEU 16 N 6.13 0.23 -3.73 7.52 4.77 -1.26 -3.64 117.00 127.02 2gdt n LEU 16 Ca 0.30 0.45 -0.29 0.00 -0.03 0.00 0.00 56.01 56.44 2gdt n LEU 16 Cb 0.19 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 40.79 2gdt n LEU 16 CO 0.80 -0.53 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.29 2gdt s VAL 17 N -3.19 0.74 -0.25 4.08 1.01 -1.26 -4.98 120.40 116.55 2gdt s VAL 17 Ca -0.01 -1.11 0.13 0.00 0.00 0.00 0.00 61.98 60.99 2gdt s VAL 17 Cb 0.03 -1.45 0.63 0.00 0.00 0.00 0.00 36.38 35.59 2gdt s VAL 17 CO 0.08 -0.52 1.59 0.54 0.00 0.00 0.00 175.10 176.79 2gdt n ARG 18 N 4.92 3.23 -3.92 2.72 3.00 -1.24 -4.36 116.66 121.02 2gdt n ARG 18 Ca -0.05 -3.02 -0.28 0.00 -0.01 0.00 0.00 57.85 54.49 2gdt n ARG 18 Cb 0.43 -2.01 -0.17 0.00 0.00 0.00 0.00 32.46 30.72 2gdt n ARG 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2gdt s GLY 19 N -1.62 0.95 0.46 -0.13 0.00 -1.26 -4.20 107.32 101.52 2gdt s GLY 19 Ca 0.48 -0.75 0.25 0.00 0.00 0.00 0.00 44.72 44.70 2gdt s GLY 19 CO 0.10 0.83 1.68 0.74 0.00 0.00 0.00 173.10 176.44 2gdt h PHE 20 N 8.12 0.00 -1.87 1.90 0.04 -1.90 -3.47 116.94 119.77 2gdt h PHE 20 Ca -0.28 0.00 0.39 0.00 2.80 0.00 0.00 57.97 60.88 2gdt h PHE 20 Cb 1.12 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.18 2gdt h PHE 20 CO 0.46 0.00 0.98 0.20 -0.60 0.00 0.00 178.31 179.36 2gdt s GLY 21 N -4.21 -0.24 0.00 -1.45 0.00 -1.26 -4.69 107.32 95.47 2gdt s GLY 21 Ca 0.06 0.26 0.03 0.00 0.00 0.00 0.00 44.72 45.08 2gdt s GLY 21 CO 0.65 5.45 0.75 1.34 0.00 0.00 0.00 173.10 181.28 2gdt n ASP 22 N -0.93 1.59 -4.39 1.64 2.03 -1.26 -4.63 116.55 110.60 2gdt n ASP 22 Ca 0.03 -1.40 -0.22 0.00 0.52 0.00 0.00 54.79 53.72 2gdt n ASP 22 Cb 0.59 -0.02 -0.11 0.00 -0.72 0.00 0.00 41.12 40.86 2gdt n ASP 22 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2gdt s SER 23 N -0.50 3.04 0.28 1.67 0.01 -1.26 -4.80 113.70 112.13 2gdt s SER 23 Ca 0.05 -0.96 -0.04 0.00 1.31 0.00 0.00 55.95 56.31 2gdt s SER 23 Cb 0.03 -0.21 0.36 0.00 0.21 0.00 0.00 66.02 66.41 2gdt s SER 23 CO 0.04 -0.03 1.95 -0.37 0.41 0.00 0.00 173.24 175.25 2gdt h VAL 24 N 2.76 1.23 -0.07 3.43 -1.51 -1.91 -2.25 116.25 117.93 2gdt h VAL 24 Ca -0.41 -0.43 -0.14 0.00 -1.23 0.00 0.00 66.70 64.49 2gdt h VAL 24 Cb 1.23 -0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 2gdt h VAL 24 CO 0.56 0.23 -0.60 -0.33 -1.23 0.00 0.00 177.57 176.20 2gdt h GLU 25 N 1.23 0.23 0.92 5.19 5.08 -1.98 -0.76 114.58 124.50 2gdt h GLU 25 Ca 0.33 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2gdt h GLU 25 Cb -0.14 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.14 2gdt h GLU 25 CO -0.07 0.76 -0.44 0.93 -1.00 0.00 0.00 179.01 179.19 2gdt h GLU 26 N 0.17 -1.19 -1.00 2.33 5.08 -1.89 -3.06 114.58 115.02 2gdt h GLU 26 Ca -0.01 0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 2gdt h GLU 26 Cb 1.10 0.27 -0.07 0.00 0.50 0.00 0.00 28.75 30.54 2gdt h GLU 26 CO 0.09 -0.80 0.64 0.00 -1.00 0.00 0.00 179.01 177.95 2gdt h ALA 27 N -1.43 1.46 -0.51 3.43 0.00 -1.04 -0.07 119.26 121.10 2gdt h ALA 27 Ca -0.13 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2gdt h ALA 27 Cb 0.95 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2gdt h ALA 27 CO 0.21 0.35 0.33 1.25 0.00 0.00 0.00 179.25 181.38 2gdt h LEU 28 N 1.09 0.56 0.47 0.00 6.46 -1.23 -0.63 115.31 122.02 2gdt h LEU 28 Ca 0.46 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.19 2gdt h LEU 28 Cb 0.31 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 2gdt h LEU 28 CO -0.21 0.40 -0.23 0.28 -0.62 0.00 0.00 178.44 178.06 2gdt h SER 29 N 0.66 -0.53 -0.49 1.25 0.02 -0.97 -3.05 113.55 110.45 2gdt h SER 29 Ca 0.19 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 2gdt h SER 29 Cb -0.05 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 2gdt h SER 29 CO -0.06 -0.16 0.23 -0.33 -1.14 0.00 0.00 176.83 175.37 2gdt h GLU 30 N -0.97 0.44 0.11 3.45 4.39 -1.16 -1.37 114.58 119.47 2gdt h GLU 30 Ca -0.06 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.62 2gdt h GLU 30 Cb 0.59 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 2gdt h GLU 30 CO 0.11 0.29 -0.52 0.00 -1.16 0.00 0.00 179.01 177.73 2gdt h ALA 31 N 1.28 -0.99 -0.86 3.43 0.00 -1.20 0.27 119.26 121.20 2gdt h ALA 31 Ca 0.22 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.19 2gdt h ALA 31 Cb 0.15 0.90 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2gdt h ALA 31 CO -0.17 -1.12 0.56 -0.09 0.00 0.00 0.00 179.25 178.44 2gdt h ARG 32 N -0.73 0.50 -0.36 0.00 1.12 -1.33 0.23 114.38 113.80 2gdt h ARG 32 Ca -0.00 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.76 2gdt h ARG 32 Cb 0.74 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.57 2gdt h ARG 32 CO -0.29 0.33 -0.05 1.49 -3.11 0.00 0.00 179.97 178.34 2gdt h GLU 33 N 0.51 0.68 0.00 0.20 4.81 -0.11 -1.84 114.58 118.82 2gdt h GLU 33 Ca 0.44 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 2gdt h GLU 33 Cb 0.93 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 2gdt h GLU 33 CO -0.18 0.81 -0.65 0.45 -0.73 0.00 0.00 179.01 178.72 2gdt h HIS 34 N 0.48 0.00 -0.46 0.92 3.86 0.21 -0.18 115.15 119.99 2gdt h HIS 34 Ca 0.10 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.21 2gdt h HIS 34 Cb 0.54 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2gdt h HIS 34 CO 0.04 0.65 -0.10 -0.07 0.86 0.00 0.00 177.93 179.31 2gdt h LEU 35 N 0.00 0.88 0.17 2.43 4.07 -0.71 0.34 115.31 122.48 2gdt h LEU 35 Ca -0.01 -0.36 -0.01 0.00 0.08 0.00 0.00 57.88 57.59 2gdt h LEU 35 Cb 1.36 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2gdt h LEU 35 CO 0.08 1.03 -0.08 0.50 -1.08 0.00 0.00 178.44 178.89 2gdt h LYS 36 N 0.71 -0.22 -0.31 1.13 3.11 -0.61 -2.97 116.57 117.41 2gdt h LYS 36 Ca 0.12 0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.98 2gdt h LYS 36 Cb 0.64 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.90 2gdt h LYS 36 CO 0.04 -0.04 0.18 -0.91 -2.81 0.00 0.00 179.45 175.91 2gdt h ASN 37 N -0.36 0.30 0.00 4.20 2.35 -1.10 -3.47 115.58 117.49 2gdt h ASN 37 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2gdt h ASN 37 Cb 0.28 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2gdt h ASN 37 CO 0.04 0.22 0.00 0.61 -1.65 0.00 0.00 177.43 176.65 2gdt n GLY 38 N -1.18 0.71 2.21 2.83 0.00 0.92 -5.00 105.19 105.67 2gdt n GLY 38 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 2gdt n GLY 38 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2gdt n THR 39 N -1.40 3.49 -4.22 2.61 5.66 0.27 -4.78 114.28 115.91 2gdt n THR 39 Ca 0.00 -2.26 -0.16 0.00 -3.05 0.00 0.00 64.05 58.57 2gdt n THR 39 Cb 0.00 -2.02 -0.14 0.00 -1.55 0.00 0.00 70.33 66.62 2gdt n THR 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gdt n GLY 41 N 2.73 3.38 2.97 0.00 0.00 0.28 -4.31 105.19 110.25 2gdt n GLY 41 Ca -0.14 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.39 2gdt n GLY 41 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gdt s LEU 42 N 0.00 2.06 -0.19 0.99 2.96 -0.19 -1.44 118.68 122.87 2gdt s LEU 42 Ca 0.13 -0.80 -0.25 0.00 -0.22 0.00 0.00 54.13 53.00 2gdt s LEU 42 Cb 0.01 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 2gdt s LEU 42 CO 0.09 -0.15 0.81 -0.69 -1.32 0.00 0.00 176.35 175.09 2gdt s VAL 43 N 1.46 4.88 0.12 1.68 1.01 0.65 -3.16 120.40 127.05 2gdt s VAL 43 Ca -0.00 1.57 -0.31 0.00 0.00 0.00 0.00 61.98 63.23 2gdt s VAL 43 Cb -0.16 -4.11 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 2gdt s VAL 43 CO -0.08 0.01 1.70 -1.61 0.00 0.00 0.00 175.10 175.12 2gdt s GLU 44 N 2.31 4.17 0.28 2.72 2.02 -1.26 -0.39 118.70 128.55 2gdt s GLU 44 Ca 0.36 2.46 -0.30 0.00 0.02 0.00 0.00 54.97 57.51 2gdt s GLU 44 Cb -0.16 -3.44 -0.12 0.00 0.10 0.00 0.00 34.13 30.51 2gdt s GLU 44 CO 0.11 -0.75 1.61 1.28 0.02 0.00 0.00 175.26 177.53 2gdt n LEU 45 N 5.09 4.25 -4.17 1.80 4.77 -1.23 -4.86 117.00 122.65 2gdt n LEU 45 Ca 0.16 1.13 -0.10 0.00 -0.03 0.00 0.00 56.01 57.17 2gdt n LEU 45 Cb 0.39 -1.58 -0.10 0.00 -2.33 0.00 0.00 43.42 39.79 2gdt n LEU 45 CO 0.63 0.13 -0.28 -1.61 -1.33 0.00 0.00 177.39 174.93 2gdt s GLU 46 N -0.23 1.00 0.12 3.23 2.02 -1.26 -4.99 118.70 118.58 2gdt s GLU 46 Ca 0.66 -1.49 0.16 0.00 0.02 0.00 0.00 54.97 54.31 2gdt s GLU 46 Cb -0.50 0.21 0.69 0.00 0.10 0.00 0.00 34.13 34.63 2gdt s GLU 46 CO 0.46 -0.28 1.48 1.17 0.02 0.00 0.00 175.26 178.11 2gdt n LYS 47 N -0.15 0.08 -1.55 1.61 4.81 -1.26 -2.61 118.16 119.09 2gdt n LYS 47 Ca -0.04 0.39 -0.01 0.00 -0.87 0.00 0.00 58.31 57.78 2gdt n LYS 47 Cb 0.64 -1.67 0.09 0.00 0.02 0.00 0.00 35.03 34.11 2gdt n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gdt n GLY 48 N -0.42 3.42 0.13 3.14 0.00 -1.26 -4.77 105.19 105.43 2gdt n GLY 48 Ca 0.02 -1.36 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 2gdt n GLY 48 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gdt n VAL 49 N -0.43 1.58 -0.31 1.61 0.31 -1.07 -4.46 118.33 115.56 2gdt n VAL 49 Ca 0.17 -0.40 -0.05 0.00 -0.01 0.00 0.00 64.34 64.05 2gdt n VAL 49 Cb 0.91 -1.78 -0.01 0.00 -0.91 0.00 0.00 33.84 32.05 2gdt n VAL 49 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2gdt h LEU 50 N -0.51 -1.53 -3.62 7.52 4.07 -1.86 -1.89 115.31 117.49 2gdt h LEU 50 Ca -0.52 0.28 -0.23 0.00 0.08 0.00 0.00 57.88 57.50 2gdt h LEU 50 Cb 1.70 0.74 -0.09 0.00 1.08 0.00 0.00 40.66 44.10 2gdt h LEU 50 CO -0.17 -0.30 0.12 -0.81 -1.08 0.00 0.00 178.44 176.20 2gdt n PRO 51 N -5.41 1.70 0.00 1.13 -0.04 -1.26 -2.09 135.00 129.03 2gdt n PRO 51 Ca 0.06 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 2gdt n PRO 51 Cb 0.36 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 2gdt n PRO 51 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2gdt n GLN 52 N 1.24 0.00 -1.76 0.54 6.02 -0.74 -5.10 117.38 117.57 2gdt n GLN 52 Ca 0.27 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.96 2gdt n GLN 52 Cb 0.62 -0.47 0.15 0.00 1.02 0.00 0.00 30.24 31.56 2gdt n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2gdt s LEU 53 N -1.71 2.31 0.00 1.08 1.02 -0.89 -4.94 118.68 115.56 2gdt s LEU 53 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 54.13 54.76 2gdt s LEU 53 Cb 0.00 -2.82 0.00 0.00 0.02 0.00 0.00 46.19 43.39 2gdt s LEU 53 CO 0.00 -2.56 0.00 -0.62 0.02 0.00 0.00 176.35 173.19 2gdt n GLU 54 N -3.72 0.00 0.12 1.70 -0.58 -1.26 -4.98 120.64 111.93 2gdt n GLU 54 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2gdt n GLU 54 Cb 0.60 -0.20 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 2gdt n GLU 54 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2gdt n GLN 55 N 0.00 0.00 -2.22 3.49 6.02 -1.26 -5.00 117.38 118.41 2gdt n GLN 55 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 2gdt n GLN 55 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 2gdt n GLN 55 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2gdt s PRO 56 N -1.54 2.91 -0.24 -1.09 0.04 -1.26 -4.06 135.00 129.77 2gdt s PRO 56 Ca 0.00 -0.75 -0.29 0.00 0.04 0.00 0.00 61.00 60.00 2gdt s PRO 56 Cb 0.00 -5.20 0.01 0.00 0.04 0.00 0.00 34.50 29.35 2gdt s PRO 56 CO 0.00 -3.09 1.08 0.71 0.04 0.00 0.00 177.00 175.74 2gdt s TYR 57 N 8.51 3.23 -0.76 0.56 2.02 0.42 -4.77 117.35 126.57 2gdt s TYR 57 Ca 0.63 1.36 -0.24 0.00 -0.37 0.00 0.00 57.07 58.44 2gdt s TYR 57 Cb -0.03 -3.38 0.06 0.00 -0.40 0.00 0.00 41.96 38.21 2gdt s TYR 57 CO -0.01 -0.70 1.16 0.08 -1.57 0.00 0.00 175.55 174.51 2gdt s VAL 58 N 3.33 4.06 0.80 0.71 1.01 -1.26 -2.04 120.40 127.02 2gdt s VAL 58 Ca 0.46 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 2gdt s VAL 58 Cb -0.15 -4.83 0.10 0.00 0.00 0.00 0.00 36.38 31.50 2gdt s VAL 58 CO 0.09 -1.68 1.14 -0.36 0.00 0.00 0.00 175.10 174.29 2gdt s PHE 59 N 4.74 2.57 -0.04 5.22 0.08 -0.33 -0.32 117.98 129.90 2gdt s PHE 59 Ca 0.31 0.49 0.04 0.00 0.12 0.00 0.00 56.93 57.89 2gdt s PHE 59 Cb -0.10 -3.50 -0.00 0.00 -0.57 0.00 0.00 43.02 38.85 2gdt s PHE 59 CO 0.08 -1.84 -0.16 0.96 -0.10 0.00 0.00 175.22 174.17 2gdt s ILE 60 N -3.51 1.35 0.10 0.64 -4.36 -0.78 -2.28 121.20 112.36 2gdt s ILE 60 Ca 0.64 -0.66 0.04 0.00 -0.26 0.00 0.00 60.65 60.41 2gdt s ILE 60 Cb -0.09 -1.16 -0.04 0.00 1.25 0.00 0.00 42.46 42.42 2gdt s ILE 60 CO 0.48 0.39 -0.12 -1.59 0.24 0.00 0.00 174.94 174.35 2gdt s LYS 61 N 0.11 0.89 -0.84 0.37 -2.85 -0.94 -0.94 119.74 115.53 2gdt s LYS 61 Ca -0.05 -1.15 -0.09 0.00 -1.00 0.00 0.00 55.97 53.67 2gdt s LYS 61 Cb -0.12 -0.66 -0.07 0.00 -2.06 0.00 0.00 37.83 34.92 2gdt s LYS 61 CO 0.02 0.12 2.01 2.89 0.10 0.00 0.00 175.35 180.49 2gdt n ARG 62 N 0.64 1.85 -1.22 1.78 1.85 -1.25 -0.82 116.66 119.49 2gdt n ARG 62 Ca -0.16 -1.51 0.15 0.00 -1.00 0.00 0.00 57.85 55.33 2gdt n ARG 62 Cb 0.57 -2.54 -0.05 0.00 -1.05 0.00 0.00 32.46 29.39 2gdt n ARG 62 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2gdt n SER 63 N 5.05 -6.89 -0.00 2.89 3.41 -1.26 -4.23 113.62 112.58 2gdt n SER 63 Ca 0.44 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.84 2gdt n SER 63 Cb 0.19 -3.86 0.29 0.00 -0.26 0.00 0.00 64.21 60.57 2gdt n SER 63 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2gdt n ASP 64 N -4.31 0.46 0.00 4.04 8.00 -1.26 -4.60 116.55 118.89 2gdt n ASP 64 Ca -0.01 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.29 2gdt n ASP 64 Cb 0.64 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 2gdt n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gdt n ALA 65 N -1.48 0.23 -0.15 2.24 0.00 -1.26 -5.08 120.51 115.00 2gdt n ALA 65 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2gdt n ALA 65 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2gdt n ALA 65 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2gdt n LEU 66 N -0.16 0.00 -1.42 0.00 -0.00 -1.26 -4.93 117.00 109.23 2gdt n LEU 66 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 56.01 56.20 2gdt n LEU 66 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 2gdt n LEU 66 CO 0.00 0.00 -0.29 -0.24 -0.00 0.00 0.00 177.39 176.86 2gdt n SER 67 N 1.44 -8.45 -0.54 1.45 2.88 -1.26 -4.97 113.62 104.17 2gdt n SER 67 Ca 0.00 0.63 0.07 0.00 -1.33 0.00 0.00 58.87 58.23 2gdt n SER 67 Cb 0.00 -4.34 -0.02 0.00 -0.75 0.00 0.00 64.21 59.10 2gdt n SER 67 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2gdt n THR 68 N -4.20 0.00 -1.18 2.46 5.66 -1.26 -4.00 114.28 111.75 2gdt n THR 68 Ca 0.00 0.03 -0.35 0.00 -3.05 0.00 0.00 64.05 60.68 2gdt n THR 68 Cb 0.65 -0.19 -0.03 0.00 -1.55 0.00 0.00 70.33 69.21 2gdt n THR 68 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2gdt n ASN 69 N -4.38 7.30 -4.61 1.09 3.02 -1.26 -4.97 115.26 111.44 2gdt n ASN 69 Ca 0.00 -2.53 -0.32 0.00 -0.03 0.00 0.00 54.58 51.70 2gdt n ASN 69 Cb 0.56 -1.43 0.14 0.00 -0.61 0.00 0.00 39.78 38.44 2gdt n ASN 69 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2gdt n HIS 70 N 4.01 0.40 0.00 3.10 -0.00 -1.26 -5.05 115.22 116.43 2gdt n HIS 70 Ca 0.67 0.36 0.00 0.00 0.46 0.00 0.00 57.72 59.22 2gdt n HIS 70 Cb 0.22 -1.98 0.00 0.00 -0.12 0.00 0.00 29.99 28.11 2gdt n HIS 70 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2gdt n GLY 71 N 0.67 0.77 3.75 1.57 0.00 -1.26 -4.96 105.19 105.73 2gdt n GLY 71 Ca 0.11 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 2gdt n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2gdt n HIS 72 N 0.00 2.34 -1.53 1.61 8.25 -1.26 -4.79 115.22 119.84 2gdt n HIS 72 Ca 0.00 0.43 -0.38 0.00 -0.26 0.00 0.00 57.72 57.51 2gdt n HIS 72 Cb 0.00 -2.37 -0.08 0.00 1.12 0.00 0.00 29.99 28.66 2gdt n HIS 72 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2gdt n LYS 73 N -1.03 0.63 -2.02 -0.41 4.01 -1.26 -4.79 118.16 113.29 2gdt n LYS 73 Ca 0.10 -0.01 -0.41 0.00 -0.51 0.00 0.00 58.31 57.48 2gdt n LYS 73 Cb 0.45 -2.69 -0.02 0.00 -0.51 0.00 0.00 35.03 32.25 2gdt n LYS 73 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2gdt s VAL 74 N 10.99 2.70 0.31 -0.18 1.01 -1.26 -2.77 120.40 131.20 2gdt s VAL 74 Ca 1.13 0.58 0.04 0.00 0.00 0.00 0.00 61.98 63.73 2gdt s VAL 74 Cb -0.60 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2gdt s VAL 74 CO 0.35 0.09 0.30 0.68 0.00 0.00 0.00 175.10 176.52 2gdt s VAL 75 N 0.12 0.00 0.07 2.92 -7.23 -1.01 -4.06 120.40 111.21 2gdt s VAL 75 Ca 0.60 -1.91 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 2gdt s VAL 75 Cb -0.42 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 33.99 2gdt s VAL 75 CO 0.42 0.00 0.12 -1.61 -0.31 0.00 0.00 175.10 173.72 2gdt s GLU 76 N -3.48 0.75 0.74 4.82 2.02 0.00 -4.40 118.70 119.15 2gdt s GLU 76 Ca 0.38 -1.01 -0.14 0.00 0.02 0.00 0.00 54.97 54.23 2gdt s GLU 76 Cb 0.02 0.29 0.04 0.00 0.10 0.00 0.00 34.13 34.59 2gdt s GLU 76 CO 0.24 -0.21 1.16 -0.51 0.02 0.00 0.00 175.26 175.96 2gdt s LEU 77 N -2.79 3.24 0.09 1.80 1.43 -1.26 -2.22 118.68 118.98 2gdt s LEU 77 Ca 0.04 2.18 -0.14 0.00 -1.03 0.00 0.00 54.13 55.18 2gdt s LEU 77 Cb 0.05 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.72 2gdt s LEU 77 CO -0.10 -2.18 0.33 0.54 0.23 0.00 0.00 176.35 175.17 2gdt s VAL 78 N -2.27 0.09 0.00 -1.59 0.11 -0.97 -4.85 120.40 110.92 2gdt s VAL 78 Ca 0.70 -0.74 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 2gdt s VAL 78 Cb -0.25 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.45 2gdt s VAL 78 CO 0.47 -0.41 -0.11 0.00 -3.33 0.00 0.00 175.10 171.72 2gdt s ALA 79 N -3.42 0.89 -0.18 1.54 0.00 -1.26 -1.19 121.76 118.14 2gdt s ALA 79 Ca 0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 2gdt s ALA 79 Cb 0.02 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.01 2gdt s ALA 79 CO -0.09 0.20 0.41 -2.00 0.00 0.00 0.00 175.76 174.28 2gdt s GLU 80 N -0.47 0.35 0.31 0.00 -6.30 -0.87 -4.98 118.70 106.76 2gdt s GLU 80 Ca 0.03 0.89 0.16 0.00 -2.50 0.00 0.00 54.97 53.56 2gdt s GLU 80 Cb -0.05 0.13 0.26 0.00 0.00 0.00 0.00 34.13 34.47 2gdt s GLU 80 CO -0.00 -0.20 1.53 0.00 0.02 0.00 0.00 175.26 176.61 2gdt h MET 81 N 7.62 0.00 0.00 4.30 -0.00 -1.88 0.12 114.93 125.09 2gdt h MET 81 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.43 2gdt h MET 81 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.75 2gdt h MET 81 CO 0.21 0.46 0.00 -0.25 -0.00 0.00 0.00 176.91 177.33 2gdt n ASP 82 N -3.30 0.76 -3.35 -0.10 8.00 -1.26 -4.12 116.55 113.17 2gdt n ASP 82 Ca 0.01 -1.30 -0.24 0.00 0.71 0.00 0.00 54.79 53.97 2gdt n ASP 82 Cb 0.67 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.79 2gdt n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gdt n GLY 83 N -0.15 -0.51 0.41 0.44 0.00 -1.26 -4.89 105.19 99.23 2gdt n GLY 83 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2gdt n GLY 83 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2gdt h ILE 84 N -1.50 0.03 -1.54 -0.61 2.04 -1.93 -3.31 117.51 110.69 2gdt h ILE 84 Ca -0.51 0.00 -0.49 0.00 1.00 0.00 0.00 64.86 64.86 2gdt h ILE 84 Cb 1.34 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2gdt h ILE 84 CO 0.58 0.00 -0.38 -1.58 0.00 0.00 0.00 178.15 176.77 2gdt s GLN 85 N -5.72 2.56 0.00 2.37 2.00 -1.26 -4.85 119.66 114.76 2gdt s GLN 85 Ca -0.13 -1.51 0.00 0.00 -2.00 0.00 0.00 55.36 51.72 2gdt s GLN 85 Cb 0.13 -2.40 0.00 0.00 0.80 0.00 0.00 33.01 31.54 2gdt s GLN 85 CO 0.65 -0.17 0.00 0.66 -0.50 0.00 0.00 175.29 175.93 2gdt n TYR 86 N -1.54 0.00 0.32 1.67 4.01 -1.26 -4.64 117.16 115.72 2gdt n TYR 86 Ca 0.03 0.00 0.21 0.00 -0.16 0.00 0.00 57.90 57.98 2gdt n TYR 86 Cb 0.61 0.00 1.11 0.00 -0.31 0.00 0.00 39.34 40.76 2gdt n TYR 86 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2gdt h GLY 87 N 0.00 0.00 -0.69 2.72 0.00 -1.89 -0.09 103.07 103.12 2gdt h GLY 87 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2gdt h GLY 87 CO 0.00 0.00 -0.31 -2.13 0.00 0.00 0.00 176.54 174.10 2gdt n ARG 88 N -3.24 0.84 -0.00 4.80 3.00 -1.26 -4.74 116.66 116.05 2gdt n ARG 88 Ca -0.03 -2.17 -0.21 0.00 -0.00 0.00 0.00 57.85 55.45 2gdt n ARG 88 Cb 0.12 -1.10 -0.14 0.00 0.00 0.00 0.00 32.46 31.34 2gdt n ARG 88 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2gdt h SER 89 N 0.23 0.33 0.00 6.15 0.02 -1.36 -3.49 113.55 115.42 2gdt h SER 89 Ca -0.02 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 2gdt h SER 89 Cb 1.19 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2gdt h SER 89 CO 0.01 1.51 0.00 0.61 -1.14 0.00 0.00 176.83 177.81 2gdt n GLY 90 N 1.68 1.82 0.36 -3.77 0.00 -1.24 -4.82 105.19 99.23 2gdt n GLY 90 Ca -0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.91 2gdt n GLY 90 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2gdt h ILE 91 N 0.00 0.79 -3.62 -0.61 2.10 -1.95 -3.43 117.51 110.80 2gdt h ILE 91 Ca 0.00 -0.29 -0.52 0.00 1.08 0.00 0.00 64.86 65.14 2gdt h ILE 91 Cb 0.00 -0.12 0.02 0.00 -1.09 0.00 0.00 36.82 35.64 2gdt h ILE 91 CO 0.00 0.15 0.54 -0.89 -1.08 0.00 0.00 178.15 176.87 2gdt s THR 92 N -5.87 3.47 -0.26 2.19 2.01 -1.26 -3.80 115.64 112.12 2gdt s THR 92 Ca -0.11 1.33 -0.12 0.00 0.31 0.00 0.00 61.69 63.10 2gdt s THR 92 Cb 0.24 -3.85 -0.12 0.00 0.01 0.00 0.00 72.50 68.78 2gdt s THR 92 CO 0.80 0.26 -0.33 0.18 -0.69 0.00 0.00 174.62 174.84 2gdt n LEU 93 N 1.93 1.98 0.00 4.42 7.99 -0.12 -4.97 117.00 128.24 2gdt n LEU 93 Ca 0.02 0.27 0.00 0.00 -0.01 0.00 0.00 56.01 56.29 2gdt n LEU 93 Cb 0.44 -0.79 0.00 0.00 -0.11 0.00 0.00 43.42 42.97 2gdt n LEU 93 CO 0.55 0.59 0.00 0.61 -1.51 0.00 0.00 177.39 177.63 2gdt n GLY 94 N 1.45 2.60 3.09 -0.72 0.00 -1.26 -3.51 105.19 106.85 2gdt n GLY 94 Ca -0.51 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 2gdt n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gdt s VAL 95 N -2.78 1.03 0.32 1.61 1.01 0.48 -1.86 120.40 120.20 2gdt s VAL 95 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 2gdt s VAL 95 Cb 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 36.38 35.43 2gdt s VAL 95 CO 0.00 0.27 0.71 -0.76 0.00 0.00 0.00 175.10 175.32 2gdt s LEU 96 N -0.37 4.04 0.04 3.92 2.01 0.57 -0.25 118.68 128.64 2gdt s LEU 96 Ca 0.05 1.20 -0.04 0.00 0.01 0.00 0.00 54.13 55.34 2gdt s LEU 96 Cb -0.05 -4.01 -0.02 0.00 0.01 0.00 0.00 46.19 42.13 2gdt s LEU 96 CO -0.00 -0.21 0.07 0.68 1.01 0.00 0.00 176.35 177.89 2gdt s VAL 97 N -2.02 0.14 -0.08 -1.59 -7.23 -0.52 -4.54 120.40 104.57 2gdt s VAL 97 Ca 0.53 -1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 59.21 2gdt s VAL 97 Cb -0.10 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 2gdt s VAL 97 CO 0.20 -0.66 1.44 -2.16 -0.31 0.00 0.00 175.10 173.62 2gdt s PRO 98 N -2.73 4.23 -1.15 4.82 0.04 -1.26 -0.55 135.00 138.40 2gdt s PRO 98 Ca -0.04 1.94 -0.22 0.00 0.04 0.00 0.00 61.00 62.72 2gdt s PRO 98 Cb -0.00 -3.79 -0.01 0.00 0.04 0.00 0.00 34.50 30.74 2gdt s PRO 98 CO -0.05 -0.72 1.80 -1.58 0.04 0.00 0.00 177.00 176.49 2gdt s HIS 99 N 3.36 2.28 0.00 0.56 2.46 -0.19 -4.72 115.29 119.04 2gdt s HIS 99 Ca 0.64 -0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.80 2gdt s HIS 99 Cb -0.29 -4.36 0.00 0.00 -0.13 0.00 0.00 32.58 27.80 2gdt s HIS 99 CO 0.23 -1.60 1.86 1.33 -2.47 0.00 0.00 174.74 174.09 2gdt n VAL 100 N 7.23 1.86 -0.40 0.89 0.24 -1.26 -4.71 118.33 122.17 2gdt n VAL 100 Ca 0.43 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2gdt n VAL 100 Cb 0.47 -1.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.40 2gdt n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gdt n GLY 101 N 1.40 1.21 0.00 7.63 0.00 -1.26 -5.00 105.19 109.18 2gdt n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2gdt n GLY 101 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gdt n GLU 102 N -2.00 0.00 -3.15 1.61 -0.58 -1.26 -4.91 120.64 110.35 2gdt n GLU 102 Ca 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 2gdt n GLU 102 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 2gdt n GLU 102 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2gdt s THR 103 N 0.00 -0.81 0.61 2.62 2.01 -1.26 -5.15 115.64 113.66 2gdt s THR 103 Ca 0.00 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.29 2gdt s THR 103 Cb 0.00 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 2gdt s THR 103 CO 0.00 -0.17 1.17 -2.16 -0.69 0.00 0.00 174.62 172.77 2gdt s PRO 104 N 1.47 2.90 -0.19 4.92 0.05 -1.26 -4.60 135.00 138.30 2gdt s PRO 104 Ca 0.20 1.69 0.17 0.00 0.05 0.00 0.00 61.00 63.10 2gdt s PRO 104 Cb -0.05 -1.94 -0.24 0.00 0.05 0.00 0.00 34.50 32.32 2gdt s PRO 104 CO -0.06 -1.23 0.12 0.44 0.05 0.00 0.00 177.00 176.32 2gdt n ILE 105 N -1.84 1.42 -3.86 0.56 -0.00 -0.59 -5.01 119.36 110.03 2gdt n ILE 105 Ca 0.13 -0.84 -0.05 0.00 -0.00 0.00 0.00 62.75 61.99 2gdt n ILE 105 Cb 0.50 -0.57 0.02 0.00 -0.00 0.00 0.00 39.64 39.60 2gdt n ILE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2gdt s ALA 106 N -2.50 -1.32 -0.06 -1.28 0.00 -1.25 -5.04 121.76 110.32 2gdt s ALA 106 Ca -0.11 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.43 2gdt s ALA 106 Cb 0.06 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 2gdt s ALA 106 CO 0.82 -1.04 -0.20 0.71 0.00 0.00 0.00 175.76 176.05 2gdt s TYR 107 N -2.22 1.97 0.39 0.00 1.51 -1.26 -0.54 117.35 117.20 2gdt s TYR 107 Ca 0.20 -0.62 0.08 0.00 -1.01 0.00 0.00 57.07 55.72 2gdt s TYR 107 Cb -0.03 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 2gdt s TYR 107 CO 0.07 -0.22 0.52 1.03 -1.11 0.00 0.00 175.55 175.85 2gdt s ARG 108 N 0.07 2.88 -0.04 -0.62 1.81 -0.14 -4.92 118.95 118.00 2gdt s ARG 108 Ca -0.06 -1.20 -0.02 0.00 -1.72 0.00 0.00 55.73 52.72 2gdt s ARG 108 Cb -0.13 -2.74 0.02 0.00 -0.45 0.00 0.00 34.95 31.65 2gdt s ARG 108 CO 0.03 -0.17 0.10 1.21 -0.68 0.00 0.00 175.30 175.80 2gdt s ASN 109 N -4.28 -0.06 -0.03 0.23 2.47 -1.26 -1.57 114.94 110.44 2gdt s ASN 109 Ca 0.51 0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.99 2gdt s ASN 109 Cb -0.09 0.13 0.03 0.00 -1.45 0.00 0.00 41.25 39.86 2gdt s ASN 109 CO 0.32 -0.10 0.00 0.68 -3.72 0.00 0.00 177.10 174.29 2gdt s VAL 110 N 0.71 0.13 0.63 -5.21 -7.23 0.26 -4.95 120.40 104.73 2gdt s VAL 110 Ca -0.05 0.10 -0.11 0.00 -1.81 0.00 0.00 61.98 60.10 2gdt s VAL 110 Cb -0.07 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.61 2gdt s VAL 110 CO -0.03 0.13 1.03 -0.76 -0.31 0.00 0.00 175.10 175.16 2gdt s LEU 111 N 0.95 3.22 -0.01 1.32 2.01 -1.11 0.06 118.68 125.11 2gdt s LEU 111 Ca -0.09 1.43 0.02 0.00 0.01 0.00 0.00 54.13 55.50 2gdt s LEU 111 Cb -0.13 -4.46 -0.00 0.00 0.01 0.00 0.00 46.19 41.61 2gdt s LEU 111 CO -0.02 -0.91 -0.07 -0.22 1.01 0.00 0.00 176.35 176.14 2gdt s LEU 112 N -5.21 2.00 -0.14 1.79 0.20 0.93 -2.40 118.68 115.85 2gdt s LEU 112 Ca 0.55 -0.12 -0.34 0.00 0.69 0.00 0.00 54.13 54.91 2gdt s LEU 112 Cb -0.11 -0.35 -0.11 0.00 -0.43 0.00 0.00 46.19 45.18 2gdt s LEU 112 CO 0.54 0.08 1.95 -2.11 -0.29 0.00 0.00 176.35 176.52 2gdt n ARG 113 N 2.93 1.98 -4.22 1.98 1.85 -1.26 -1.09 116.66 118.83 2gdt n ARG 113 Ca -0.13 0.70 -0.13 0.00 -1.00 0.00 0.00 57.85 57.29 2gdt n ARG 113 Cb 0.58 -2.65 -0.10 0.00 -1.05 0.00 0.00 32.46 29.23 2gdt n ARG 113 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2gdt s LYS 114 N 4.56 1.20 0.00 2.89 3.01 -1.26 -4.83 119.74 125.32 2gdt s LYS 114 Ca 0.96 -1.63 0.00 0.00 -1.01 0.00 0.00 55.97 54.29 2gdt s LYS 114 Cb -0.70 0.16 0.00 0.00 -1.01 0.00 0.00 37.83 36.28 2gdt s LYS 114 CO 0.51 -0.35 0.00 0.09 0.51 0.00 0.00 175.35 176.10 2gdt n ASN 115 N -0.28 0.00 -0.73 2.83 3.02 -1.25 -3.77 115.26 115.08 2gdt n ASN 115 Ca 0.01 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 2gdt n ASN 115 Cb 0.66 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 40.13 2gdt n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25